3,3-difluoroazepane;hydrochloride - ≥97% , CAS No.1228231-35-3

CAS: 1228231-35-3 Cat. No.: D627573 Molecular Weight: 171.61 PubChem CID: 118798396
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
3,3-Difluoroazepane hydrochloride | 1228231-35-3 | 3,3-Difluoro-azepane HCl | 3,3-DIFLUORO-AZEPANE HYDROCHLORIDE | 3,3-difluoroazepane | hydrochloride | 3,3-Difluoroazepanehydrochloride | SCHEMBL22690995 | MFCD27997460 | AS-61931 | EN300-1215782 | F2147-8
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
D627573-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$214.90
250mg
D627573-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$342.90
500mg
D627573-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$572.90
1g
D627573-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$858.90
5g
D627573-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$4,290.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3, 3-Difluoroazepane hydrochloride | 1228231-35-3 | 3, 3-Difluoro-azepane HCl | 3, 3-DIFLUORO-AZEPANE HYDROCHLORIDE | 3, 3-difluoroazepane | hydrochloride | 3, 3-Difluoroazepanehydrochloride | SCHEMBL22690995 | MFCD27997460 | AS-61931 | EN300-1215782 | F2147-8
Specifications & Purity
≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC1CCNCC(C1)(F)F.Cl
IUPAC Name3,3-difluoroazepane;hydrochloride
InChIKeyYIKNKSHWIOJGAV-UHFFFAOYSA-N
INCHI1S/C6H11F2N.ClH/c7-6(8)3-1-2-4-9-5-6;/h9H,1-5H2;1H
PubChem CID 118798396
Molecular Weight 171.61

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight171.610 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass171.063 Da
Monoisotopic Mass171.063 Da
Topological Polar Surface Area12.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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